N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide

C17H24N2O3S — CID 92764547

IUPACN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
SMILESC[C@]1(NC(=O)CNc2cccc3c2CCCC3)CCS(=O)(=O)C1
InChIInChI=1S/C17H24N2O3S/c1-17(9-10-23(21,22)12-17)19-16(20)11-18-15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8,18H,2-3,5,7,9-12H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyDNTYLIOWEOZIHQ-KRWDZBQOSA-N
MW336.46 g/mol
LogP1.67
Rot. Bonds4

About N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide

N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide (PubChem CID 92764547) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
PubChem CID92764547
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
SMILESC[C@]1(NC(=O)CNc2cccc3c2CCCC3)CCS(=O)(=O)C1
InChIInChI=1S/C17H24N2O3S/c1-17(9-10-23(21,22)12-17)19-16(20)11-18-15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8,18H,2-3,5,7,9-12H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyDNTYLIOWEOZIHQ-KRWDZBQOSA-N
XLogP1.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethoxyanilino)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 30705980
2-[2-(azepan-1-yl)anilino]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 37220494
N-(tert-butylcarbamoyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 26509429
methyl 2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetate
CID 43179666
N-(5-fluoro-2-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 37478676
N-(2-phenylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 55345448
2-(benzhydrylamino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46603209
N-(3-methyl-1,1-dioxothiolan-3-yl)-4-oxo-4-phenylbutanamide
CID 78789298
N-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 134037980
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide
CID 46797716
2-(3-fluorophenyl)-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 25473740
2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 41103953

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide?
The IUPAC name of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide (CID 92764547) is N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide?
The canonical SMILES for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide is C[C@]1(NC(=O)CNc2cccc3c2CCCC3)CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide?
The InChIKey is DNTYLIOWEOZIHQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-17(9-10-23(21,22)12-17)19-16(20)11-18-15-8-4-6-13-5-2-3-7-14(13)15/h4,6,8,18H,2-3,5,7,9-12H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide?
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide has a molecular weight of 336.46 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)acetamide is sourced from PubChem (CID 92764547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).